5-bromo-2-methoxy-N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzenesulfonamide

C21H18BrN3O3S — CID 121149779

IUPAC5-bromo-2-methoxy-N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzenesulfonamide
SMILESCOc1ccc(Br)cc1S(=O)(=O)Nc1ccccc1-c1cn2cccc(C)c2n1
InChIInChI=1S/C21H18BrN3O3S/c1-14-6-5-11-25-13-18(23-21(14)25)16-7-3-4-8-17(16)24-29(26,27)20-12-15(22)9-10-19(20)28-2/h3-13,24H,1-2H3
InChIKeyFFPKYCRNOKOPLF-UHFFFAOYSA-N
MW472.36 g/mol
LogP4.88
Rot. Bonds5

About 5-bromo-2-methoxy-N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzenesulfonamide

5-bromo-2-methoxy-N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzenesulfonamide (PubChem CID 121149779) has the molecular formula C21H18BrN3O3S and a molecular weight of 472.36 g/mol. Its IUPAC name is 5-bromo-2-methoxy-N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name5-bromo-2-methoxy-N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzenesulfonamide
PubChem CID121149779
Molecular FormulaC21H18BrN3O3S
Molecular Weight472.36 g/mol
Exact Mass471.03
IUPAC Name5-bromo-2-methoxy-N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzenesulfonamide
SMILESCOc1ccc(Br)cc1S(=O)(=O)Nc1ccccc1-c1cn2cccc(C)c2n1
InChIInChI=1S/C21H18BrN3O3S/c1-14-6-5-11-25-13-18(23-21(14)25)16-7-3-4-8-17(16)24-29(26,27)20-12-15(22)9-10-19(20)28-2/h3-13,24H,1-2H3
InChIKeyFFPKYCRNOKOPLF-UHFFFAOYSA-N
XLogP4.88
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.36
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-bromo-2-methoxy-N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methoxy-N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzenesulfonamide?
The IUPAC name of 5-bromo-2-methoxy-N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzenesulfonamide (CID 121149779) is 5-bromo-2-methoxy-N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 5-bromo-2-methoxy-N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 5-bromo-2-methoxy-N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzenesulfonamide is COc1ccc(Br)cc1S(=O)(=O)Nc1ccccc1-c1cn2cccc(C)c2n1.
What is the InChIKey of 5-bromo-2-methoxy-N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzenesulfonamide?
The InChIKey is FFPKYCRNOKOPLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18BrN3O3S/c1-14-6-5-11-25-13-18(23-21(14)25)16-7-3-4-8-17(16)24-29(26,27)20-12-15(22)9-10-19(20)28-2/h3-13,24H,1-2H3.
What are the key properties of 5-bromo-2-methoxy-N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzenesulfonamide?
5-bromo-2-methoxy-N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzenesulfonamide has a molecular weight of 472.36 g/mol, XLogP of 4.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methoxy-N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 121149779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).